Compound Detail
CHEMBL5439430
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5439430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLPRUWGRQMHFIY-XTYQKSJHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3173.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form CHEMBL1783 | Kd | 6.8 | 6.395 | 158.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form | Kd | = | 158.0 | nM | 6.8 | Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia col... | 37409957 |
| Vascular endothelial growth factor A, long form | Kd | = | 1027.0 | nM | 5.99 | Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia col... | 37409957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37409957 | 10.1021/acs.jmedchem.3c00561 | Vascular endothelial growth factor A, long form | 9 |
| 37409957 | 10.1021/acs.jmedchem.3c00561 | HUVEC | 2 |
Data from ChEMBL 36 via Core Engine